2-(1,2-oxazol-5-ylmethylsulfanyl)-4-(1-oxidanylpropan-2-ylamino)-8H-pteridin-7-one

Systemtic Name: 2-(1,2-oxazol-5-ylmethylsulfanyl)-4-(1-oxidanylpropan-2-ylamino)-8H-pteridin-7-one Openeye Name: 4-[(2-hydroxy-1-methyl-ethyl)amino]-2-(isoxazol-5-ylmethylsulfanyl)-8H-pteridin-7-one CAS Name: 4-(1-hydroxypropan-2-ylamino)-2-(5-isoxazolylmethylthio)-8H-pteridin-7-one IUPAC Name: 4-(1-hydroxypropan-2-ylamino)-2-(1,2-oxazol-5-ylmethylsulfanyl)-8H-pteridin-7-one Traditional Name: 4-[(2-hydroxy-1-methyl-ethyl)amino]-2-(isoxazol-5-ylmethylthio)-8H-pteridin-7-one Formula: C13H14N6O3S MolecularWeight: 334.35366

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC1=NC(=NC2=C1N=CC(=O)N2)SCC3=CC=NO3

Isomeric SMILES

CC(CO)NC1=NC(=NC2=C1N=CC(=O)N2)SCC3=CC=NO3

InChI

InChI=1S/C13H14N6O3S/c1-7(5-20)16-11-10-12(17-9(21)4-14-10)19-13(18-11)23-6-8-2-3-15-22-8/h2-4,7,20H,5-6H2,1H3,(H2,16,17,18,19,21)